alosetron

Ligand id: 2296

Name: alosetron

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 53.92
Molecular weight 294.15
XLogP 2.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (2002))
IUPAC Name
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
International Nonproprietary Names
INN number INN
6906 alosetron
Synonyms
GR68755 | Lotronex®
Database Links
BindingDB Ligand 50131429
CAS Registry No. 122852-42-0
ChEBI CHEBI:253342
ChEMBL Ligand CHEMBL1110
DrugBank Ligand DB00969
PubChem CID 2099
Search Google for chemical match using the InChIKey JSWZEAMFRNKZNL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JSWZEAMFRNKZNL
Search PubMed clinical trials alosetron
Search PubMed titles alosetron
Search PubMed titles/abstracts alosetron
Search UniChem for chemical match using the InChIKey JSWZEAMFRNKZNL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JSWZEAMFRNKZNL
Wikipedia Alosetron
Comments
Having been withdrawn by the manufacturer in 2000 following reports of severe adverse effects, the FDA approved a supplemental new drug application (2002) which allows remarketing of the drug, but under conditions of restricted use.